HRID187450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)C5CCCN5C(=O)C(F)(F)F)c4)nc4ccccc34)ccc21

HCID72270687

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)C5CCCN5)c4)nc4ccccc34)ccc21

HCID68791723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0436ffb804049eaae5d7aa52139022e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:54][OH:55].[F:1][C:2]([F:3])([F:4])[C:46]([N:5]1[CH:6]([C:10](=[O:11])[NH:12][c:13]2[cH:14][c:15](-[c:19]3[n:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[c:27]([NH:29][c:30]4[cH:31][c:32]5[cH:33][n:34][n:35]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:36]5[cH:37][cH:38]4)[n:28]3)[cH:16][cH:17][cH:18]2)[CH2:7][CH2:8][CH2:9]1)=[O:47].[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[OH2:56]>>[NH:5]1[CH:6]([C:10](=[O:11])[NH:12][c:13]2[cH:14][c:15](-[c:19]3[n:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[c:27]([NH:29][c:30]4[cH:31][c:32]5[cH:33][n:34][n:35]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:36]5[cH:37][cH:38]4)[n:28]3)[cH:16][cH:17][cH:18]2)[CH2:7][CH2:8][CH2:9]1